%chk=000099438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099438

0 1
 S   -3.245800      0.1412000     -0.7163000    
 O   -2.240200     -9.2900001E-02  0.5503000    
 O   -3.249400      -1.064200      -1.527100    
 O   -2.927500       1.422300      -1.323100    
 O    4.074600       1.439800      0.1339000    
 N   -4.805100      0.2811000      3.7700001E-02
 N    3.238200     -0.7561000     -1.2000001E-03
 C  -0.8834000     -0.2572000      0.4125000    
 C    1.860000     -0.5897000      0.1380000    
 C  -0.3614000      -1.533100      0.2457000    
 C  -5.2400000E-02  0.8549000      0.4438000    
 C    1.016500      -1.700100      0.1079000    
 C    1.325600      0.6878000      0.3059000    
 C   -5.255700     -0.8962000      0.8260000    
 C   -5.070700       1.556800      0.7539000    
 C    5.617300     -0.3828000     -0.1785000    
 C    4.237000      0.2309000      3.5999999E-03
 C    6.722300      0.6577000     -0.2130000    
 H   -1.014700      -2.400600      0.2232000    
 H  -0.4656000       1.850800      0.5760000    
 H    1.419000      -2.701500     -2.2200000E-02
 H    1.912500       1.594800      0.3396000    
 H    3.548600      -1.718300     -0.1199000    
 H   -6.320500     -0.8001000       1.060400    
 H   -4.691000     -0.9748000       1.759400    
 H   -5.131900      -1.814000      0.2446000    
 H   -6.109000       1.584400       1.099200    
 H   -4.930300       2.406100      7.9800002E-02
 H   -4.407700       1.657000       1.618100    
 H    5.796200      -1.081600      0.6465000    
 H    5.622600     -0.9536000      -1.114100    
 H    6.572700       1.362700      -1.037400    
 H    7.695500      0.1757000     -0.3475000    
 H    6.751000       1.231900      0.7189000    


%chk=000099438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099438

0 1
S -3.505750 -0.026644 -0.855064
O -2.166458 0.016499 0.843873
O -3.529615 -1.515464 -1.504321
O -3.307627 1.274613 -1.806241
O 4.194333 1.523691 -0.207441
N -5.119728 0.202846 0.063323
N 3.334594 -0.658041 -0.065250
C -0.842031 -0.131684 0.571898
C 1.953771 -0.429234 0.142537
C -0.257290 -1.438240 0.494779
C -0.000733 1.013600 0.396115
C 1.118690 -1.579726 0.291209
C 1.380176 0.877184 0.199506
C -5.426820 -0.949687 0.938760
C -5.214742 1.545085 0.679451
C 5.742113 -0.360648 -0.519831
C 4.372559 0.273537 -0.243551
C 6.890455 0.450234 0.116346
H -0.909505 -2.310764 0.599723
H -0.463760 2.005141 0.429044
H 1.561658 -2.582804 0.238902
H 2.027022 1.747977 0.083323
H 3.614712 -1.641972 -0.098994
H -6.512549 -0.918836 1.145556
H -4.871933 -0.929904 1.898778
H -5.203292 -1.883612 0.398020
H -6.286316 1.739101 0.870283
H -4.848494 2.298039 -0.037207
H -4.652870 1.629431 1.631824
H 5.770048 -1.413613 -0.176865
H 5.875570 -0.381783 -1.620529
H 6.810370 1.509563 -0.178878
H 7.869880 0.062167 -0.213354
H 6.850863 0.403050 1.218874


